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GPCR

NameOrexin receptor type 2
SpeciesHomo sapiens (Human)
GeneHCRTR2
SynonymOx-2-R
OX2 receptor
Ox2-R
OX2R
orexin receptor type 2
[ Show all ]
DiseaseInsomnia
Length444
Amino acid sequenceMSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
UniProtO43614
Protein Data Bank5ws3, 5wqc, 4s0v, 4rnb
GPCR-HGmod modelO43614
3D structure modelThis structure is from PDB ID 5ws3.
BioLiPBL0303710, BL0398950, BL0397818, BL0302679
Therapeutic Target DatabaseT69485
ChEMBLCHEMBL4792
IUPHAR322
DrugBankBE0005865

Ligand

NameCHEMBL3659221
Molecular formulaC20H21N7O2
IUPAC name[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-(pyridazin-3-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight391.435
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.0
SynonymsDMHRIBXCAZSILN-UHFFFAOYSA-N
(+/-)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)(2-((pyridazin-3-yloxy)methyl)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
SCHEMBL16042288
US9062078, 53
BDBM163922
Inchi KeyDMHRIBXCAZSILN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N7O2/c1-13-4-6-17(27-22-9-10-23-27)19(24-13)20(28)26-15-5-7-16(26)14(11-15)12-29-18-3-2-8-21-25-18/h2-4,6,8-10,14-16H,5,7,11-12H2,1H3
PubChem CID90413513
ChEMBLCHEMBL3659221
IUPHARN/A
BindingDB163922
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nM, NoneBindingDB,ChEMBL

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